0 mol 0 unq 0 iso 0 dist 6.51408 8.53102 7.74146 8.99317 8.66612 11.1465 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.51408 8.53102 7.74146 6.22902 8.84413 5.79741 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 6.51408 8.53102 7.74146 4.80868 7.96742 12.8105 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 8.53102 6.51408 7.74146 6.22902 5.79741 8.84413 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 6.10226 5.80034 5.63739 10.5313 8.0166 9.32945 numMergedOcc 0
5 mol 7 unq 1 iso 0 dist 6.10226 9.83056 10.2796 10.5313 8.0166 9.90117 numMergedOcc 0
6 mol 7 unq 2 iso 0 dist 5.80034 6.10226 5.63739 6.73272 9.67498 11.1694 numMergedOcc 0
7 mol 7 unq 3 iso 0 dist 5.80034 6.10226 5.63739 10.5313 9.32945 8.0166 numMergedOcc 0
8 mol 7 unq 4 iso 0 dist 5.80034 9.83056 5.38328 6.73272 9.67498 13.5103 numMergedOcc 0
9 mol 7 unq 5 iso 0 dist 5.80034 9.83056 5.38328 10.5313 9.32945 9.90117 numMergedOcc 0
10 mol 7 unq 6 iso 0 dist 9.83056 6.10226 10.2796 10.5313 9.90117 8.0166 numMergedOcc 0
11 mol 7 unq 7 iso 0 dist 9.83056 5.80034 5.38328 10.5313 9.90117 9.32945 numMergedOcc 0
12 mol 55 unq 0 iso 0 dist 9.25575 8.99651 7.26442 18.5033 9.30367 13.3794 numMergedOcc 0
13 mol 55 unq 1 iso 0 dist 9.25575 8.99651 7.26442 6.59267 6.67079 11.3162 numMergedOcc 0
14 mol 108 unq 0 iso 0 dist 5.38329 7.62421 6.45014 8.02422 9.32474 8.80334 numMergedOcc 0
15 mol 108 unq 1 iso 0 dist 7.62421 5.38329 6.45014 8.02422 8.80334 9.32474 numMergedOcc 0
16 mol 111 unq 0 iso 0 dist 5.05141 8.38367 9.44606 10.2176 8.83191 16.3736 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 8.83252 5.95885 5.82281 6.49969 6.25455 8.14441 numMergedOcc 0
18 mol 178 unq 1 iso 0 dist 5.95885 8.83252 5.82281 6.49969 8.14441 6.25455 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 8.3311 7.6168 13.9864 13.2828 7.30965 20.2546 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 8.3311 4.95155 11.8039 13.2828 7.30965 17.5311 numMergedOcc 0
21 mol 192 unq 2 iso 0 dist 4.95155 8.3311 11.8039 5.42318 8.34883 11.3848 numMergedOcc 0
22 mol 192 unq 3 iso 0 dist 4.95155 7.6168 5.26568 5.42318 8.34883 11.7388 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 8.98518 9.4525 16.5296 9.07015 8.98362 12.9236 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 7.76984 5.62744 10.5674 4.95913 8.34832 10.2234 numMergedOcc 0
25 mol 241 unq 0 iso 0 dist 9.744 7.62827 6.59047 6.51459 7.41298 9.99337 numMergedOcc 0
26 mol 241 unq 1 iso 0 dist 7.62827 9.744 6.59047 6.51459 9.99337 7.41298 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 8.42116 9.11074 11.0128 15.8732 8.98346 18.324 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 7.87939 9.84057 13.4514 5.26607 8.61786 15.0813 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 8.51073 6.30852 9.14734 8.24036 7.02503 12.2852 numMergedOcc 0
30 mol 280 unq 1 iso 0 dist 8.51073 6.30852 9.14734 14.358 9.18164 16.9688 numMergedOcc 0
31 mol 280 unq 2 iso 0 dist 6.30852 8.51073 9.14734 8.34793 9.05509 14.5604 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 7.72733 7.2491 6.55738 9.6778 7.97209 13.5011 numMergedOcc 0
33 mol 285 unq 1 iso 0 dist 7.72733 7.2491 6.55738 6.85219 8.63954 4.74716 numMergedOcc 0
34 mol 285 unq 2 iso 0 dist 7.2491 7.72733 6.55738 6.85219 4.74716 8.63954 numMergedOcc 0
